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3,5-Trifluromethylbenzoylacetonitrile

3,5-Trifluromethylbenzoylacetonitrile structure

CAS No:
267880-81-9
Formula:
C11H5F6NO
Chemical Name:
3,5-Trifluromethylbenzoylacetonitrile
Synonyms:
3,5-Trifluromethylbenzoylacetonitrile;3-(3,5-bis(trifluoromethyl)phenyl)-3-oxopropanenitrile;b-Oxo-3,5-bis(trifluoromethyl)benzenepropanenitrile;Benzenepropanenitrile, β-oxo-3,5-bis(trifluoromethyl)-;Benzenepropanenitrile, b-oxo-3,5-bis(trifluoromethyl)-

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3,5-Trifluromethylbenzoylacetonitrile Basic Attributes

Molecular Weight：

281.15

Exact Mass：

281.02753276

DSSTox ID：

DTXSID50645208

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

3.82058

Density：

1.420±0.06 g/cm3

Melting Point：

67-70 °C

Boiling Point：

249.3±40.0 °C(Predicted)

Flash Point：

104.6ºC

Refractive Index：

1.426

Vapor Pressure：

0.023mmHg at 25°C

PKA：

6.32±0.10

Computed Properties

Molecular Weight:281.15
XLogP3:3.3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:281.02753276
Monoisotopic Mass:281.02753276
Topological Polar Surface Area:40.9
Heavy Atom Count:19
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Trifluromethylbenzoylacetonitrile

Basic Attributes
Characteristics
Computed Properties

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